MassBank:KOX00909p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Isobutylamine

IDs and Links
MassBank	Isobutylamine
CAS	78-81-9
Keio ID	I064+

Top 10 Similar Molecules of Isobutylamine

Ranking	About scoring
KOX00672p Score:10.16 KOX00913p Score:6.63 KOX00714p Score:6.63 KOX00908p Score:5.72 KOX00718p Score:5.72 KOX00680p Score:5.72 KOX00892p Score:4.44 KOX00851p Score:4.44 KOX00819p Score:4.44 KOX00739p Score:4.44	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

Links

Page list for each fragment
Pages Related to Peak C4H12N:   KOX00672p  KOX00680p  KOX00718p  KOX00908p   Pages Related to Peak C4H9:   KOX00213p  KOX00272p  KOX00306p  KOX00401p  KOX00471p  KOX00536p  KOX00616p  KOX00623p  KOX00633p  KOX00672p  KOX00702p  KOX00705p  KOX00730p  KOX00739p  KOX00819p  KOX00851p  KOX00892p   Pages Related to Peak C2H8N:   KOX00714p   Pages Related to Peak C3H5:   KOX00913p

Annotations

Precursor	Product	Comments
C4H12N (74)	C4H9 (57)	a

Precursor-Product Relationship

About the PP Table (行列表示について)
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).	行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。

KOX00909p	74 C4H12N	57 C4H9	46 C2H8N	41 C3H5
74 C4H12N
57 C4H9	H3N
46 C2H8N	C2H4
41 C3H5	CH7N	CH4

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